COMPUTATIONAL CONDENSED MATTER PHYSICS/MATERIAL SCIENCE
``Computer Alchemy'' is now a practical tool for research.
exploding field, computers now powerful and algorithms robust.
Model systems of intrinsic interest and of
Atomistic simulations - up to several million particles.
Full ab initio detail - hundreds.
Intrinsic interest: Behaviour of Helium crystals, melting properties of metals
Modeling nuclear stockpiles (ASCI at Los Alamos, Accelerated Strategic Computing Initiative)
Industrially important materials:
Ceramics (Alumina), semiconductors (Silicon, Germanium, Diamonds) and
polymers. Computer modeling saves delicate and expensive laboratory
Modeling must be done in collaboration with laboratory